1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile

C10H16N2O2S — CID 64987766

IUPAC1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C10H16N2O2S/c11-6-10-2-1-5-12(7-10)15(13,14)8-9-3-4-9/h9-10H,1-5,7-8H2
InChIKeyGOKFKUMWOLVZRA-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.96
Rot. Bonds3

About 1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile

1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile (PubChem CID 64987766) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile
PubChem CID64987766
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C10H16N2O2S/c11-6-10-2-1-5-12(7-10)15(13,14)8-9-3-4-9/h9-10H,1-5,7-8H2
InChIKeyGOKFKUMWOLVZRA-UHFFFAOYSA-N
XLogP0.96
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine
CID 102962630
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile
CID 114166079
3-cyanopyrrolidine-1-sulfonyl chloride
CID 90355873
[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol
CID 64987457
1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120715396
1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol
CID 138381986
1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine
CID 63853138
4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365293
[4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine
CID 64989827

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile (CID 64987766) is 1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile is N#CC1CCCN(S(=O)(=O)CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile?
The InChIKey is GOKFKUMWOLVZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c11-6-10-2-1-5-12(7-10)15(13,14)8-9-3-4-9/h9-10H,1-5,7-8H2.
What are the key properties of 1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile?
1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile has a molecular weight of 228.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile is sourced from PubChem (CID 64987766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).